trimethyl-[4-oxidanyl-4-oxidanylidene-2-(2-sulfanylpropanoyloxy)butyl]azanium chloride

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-(2-sulfanylpropanoyloxy)butyl]azanium chloride Openeye Name: [4-hydroxy-4-oxo-2-(2-sulfanylpropanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [4-hydroxy-2-(2-mercapto-1-oxopropoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [4-hydroxy-4-oxo-2-(2-sulfanylpropanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [4-hydroxy-4-keto-2-(2-mercaptopropanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C10H20ClNO4S MolecularWeight: 285.7881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)S.[Cl-]

Isomeric SMILES

CC(C(=O)OC(CC(=O)O)C[N+](C)(C)C)S.[Cl-]

InChI

InChI=1S/C10H19NO4S.ClH/c1-7(16)10(14)15-8(5-9(12)13)6-11(2,3)4;/h7-8H,5-6H2,1-4H3,(H-,12,13,16);1H